ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane

C30H48Si2 — CID 172682252

IUPACditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane
SMILESCC(C)(C)[SiH](c1ccc(C=Cc2ccc([SiH](C(C)(C)C)C(C)(C)C)cc2)cc1)C(C)(C)C
InChIInChI=1S/C30H48Si2/c1-27(2,3)31(28(4,5)6)25-19-15-23(16-20-25)13-14-24-17-21-26(22-18-24)32(29(7,8)9)30(10,11)12/h13-22,31-32H,1-12H3
InChIKeyAOIALSBFKASMQY-UHFFFAOYSA-N
MW464.89 g/mol
LogP7.93
Rot. Bonds4

About ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane

ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane (PubChem CID 172682252) has the molecular formula C30H48Si2 and a molecular weight of 464.89 g/mol. Its IUPAC name is ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane.

Molecular Properties

Compound Nameditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane
PubChem CID172682252
Molecular FormulaC30H48Si2
Molecular Weight464.89 g/mol
Exact Mass464.33
IUPAC Nameditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane
SMILESCC(C)(C)[SiH](c1ccc(C=Cc2ccc([SiH](C(C)(C)C)C(C)(C)C)cc2)cc1)C(C)(C)C
InChIInChI=1S/C30H48Si2/c1-27(2,3)31(28(4,5)6)25-19-15-23(16-20-25)13-14-24-17-21-26(22-18-24)32(29(7,8)9)30(10,11)12/h13-22,31-32H,1-12H3
InChIKeyAOIALSBFKASMQY-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.89
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane?
The IUPAC name of ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane (CID 172682252) is ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane.
What is the SMILES notation for ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane?
The canonical SMILES for ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane is CC(C)(C)[SiH](c1ccc(C=Cc2ccc([SiH](C(C)(C)C)C(C)(C)C)cc2)cc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane?
The InChIKey is AOIALSBFKASMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48Si2/c1-27(2,3)31(28(4,5)6)25-19-15-23(16-20-25)13-14-24-17-21-26(22-18-24)32(29(7,8)9)30(10,11)12/h13-22,31-32H,1-12H3.
What are the key properties of ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane?
ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane has a molecular weight of 464.89 g/mol, XLogP of 7.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[4-[2-(4-ditert-butylsilylphenyl)ethenyl]phenyl]silane is sourced from PubChem (CID 172682252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).